CID 86645

3-(methoxymethoxy)androst-5-en-17-one

Structural Information

Molecular Formula
C21H32O3
SMILES
CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OCOC)C
InChI
InChI=1S/C21H32O3/c1-20-10-8-15(24-13-23-3)12-14(20)4-5-16-17-6-7-19(22)21(17,2)11-9-18(16)20/h4,15-18H,5-13H2,1-3H3
InChIKey
JQWNLAOFJMUGBT-UHFFFAOYSA-N
Compound name
3-(methoxymethoxy)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.23514 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.24242 183.1
[M+Na]+ 355.22436 187.9
[M-H]- 331.22786 187.2
[M+NH4]+ 350.26896 205.5
[M+K]+ 371.19830 183.1
[M+H-H2O]+ 315.23240 176.2
[M+HCOO]- 377.23334 193.7
[M+CH3COO]- 391.24899 211.9
[M+Na-2H]- 353.20981 183.4
[M]+ 332.23459 179.4
[M]- 332.23569 179.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.